CID 2376040

343856-76-8

Structural Information

Molecular Formula

C₁₀H₁₂N₂S

SMILES

CCNC1=NC2=C(C=CC=C2S1)C

InChI

InChI=1S/C10H12N2S/c1-3-11-10-12-9-7(2)5-4-6-8(9)13-10/h4-6H,3H2,1-2H3,(H,11,12)

InChIKey

GZEPBFKXMZBPFQ-UHFFFAOYSA-N

Compound name

N-ethyl-4-methyl-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 192.07211 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.079386	137.8
[M+Na]+	215.061328	148.9
[M-H]-	191.064834	142.2
[M+NH4]+	210.105933	160.1
[M+K]+	231.035268	145.0
[M+H-H2O]+	175.069370	132.0
[M+HCOO]-	237.070311	158.8
[M+CH3COO]-	251.085961	152.3
[M+Na-2H]-	213.046776	143.0
[M]+	192.07156142	142.2
[M]-	192.07265858	142.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.